2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol

C21H25F3N2O — CID 3058194

IUPAC2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol
SMILESOC(c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C21H25F3N2O/c22-21(23,24)20(27)17-6-8-18(9-7-17)25-19-11-14-26(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19-20,25,27H,10-15H2
InChIKeyMUGMPODLWDIECN-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.40
Rot. Bonds6

About 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol

2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol (PubChem CID 3058194) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol
PubChem CID3058194
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol
SMILESOC(c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C21H25F3N2O/c22-21(23,24)20(27)17-6-8-18(9-7-17)25-19-11-14-26(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19-20,25,27H,10-15H2
InChIKeyMUGMPODLWDIECN-UHFFFAOYSA-N
XLogP4.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol (CID 3058194) is 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol is OC(c1ccc(NC2CCN(CCc3ccccc3)CC2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol?
The InChIKey is MUGMPODLWDIECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c22-21(23,24)20(27)17-6-8-18(9-7-17)25-19-11-14-26(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19-20,25,27H,10-15H2.
What are the key properties of 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol?
2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol has a molecular weight of 378.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 3058194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).